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Accelerated Molecular Dynamics Simulation of AFM Experiments Using the Bond-Boost Method

Published online by Cambridge University Press:  01 February 2011

Woo Kyun Kim  and
Michael L. Falk
Woo Kyun Kim
Affiliation:
[email protected], The University of Michigan, Mechanical Engineering, 2300 Hayward St., Ann Arbor, MI, 48109, United States
Michael L. Falk
Affiliation:
[email protected], The University of Michigan, Materials Science and Engineering, 2300 Hayward St., Ann Arbor, MI, 48109, United States
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Abstract

Accelerated molecular dynamics (MD) simulations of recent Atomic Force Microscope (AFM) experiments on oxidized silicon surfaces demonstrate a nontrivial dependence of frictional force on sliding velocity as well as temperature. By implementing hyper dynamics (HD) via the bond-boost method these simulations achieve sliding velocities in the range of real experimental values. Moreover, an analysis of the effects of temperature and sliding velocity on friction provide evidence for a systematic deviation from the modified Tomlinson model. We hypothesize regarding the origin of these deviations, and use the simulations to analyze the atomic processes that accompany sliding.

Keywords

simulationSitribology
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1085: Symposium T – Nanoscale Tribology–Impact for Materials and Devices , 2008 , 1085-T02-02
Copyright
Copyright © Materials Research Society 2008

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References

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